(E)-4-(4-methoxy-3-propan-2-ylphenyl)-5-methylhex-3-en-1-amine

C17H27NO — CID 95467750

IUPAC(E)-4-(4-methoxy-3-propan-2-ylphenyl)-5-methylhex-3-en-1-amine
SMILESCOc1ccc(/C(=C/CCN)C(C)C)cc1C(C)C
InChIInChI=1S/C17H27NO/c1-12(2)15(7-6-10-18)14-8-9-17(19-5)16(11-14)13(3)4/h7-9,11-13H,6,10,18H2,1-5H3/b15-7+
InChIKeyCMNLYZZIJVBQRU-VIZOYTHASA-N
MW261.41 g/mol
LogP4.21
Rot. Bonds6

About (E)-4-(4-methoxy-3-propan-2-ylphenyl)-5-methylhex-3-en-1-amine

(E)-4-(4-methoxy-3-propan-2-ylphenyl)-5-methylhex-3-en-1-amine (PubChem CID 95467750) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (E)-4-(4-methoxy-3-propan-2-ylphenyl)-5-methylhex-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(4-methoxy-3-propan-2-ylphenyl)-5-methylhex-3-en-1-amine
PubChem CID95467750
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(E)-4-(4-methoxy-3-propan-2-ylphenyl)-5-methylhex-3-en-1-amine
SMILESCOc1ccc(/C(=C/CCN)C(C)C)cc1C(C)C
InChIInChI=1S/C17H27NO/c1-12(2)15(7-6-10-18)14-8-9-17(19-5)16(11-14)13(3)4/h7-9,11-13H,6,10,18H2,1-5H3/b15-7+
InChIKeyCMNLYZZIJVBQRU-VIZOYTHASA-N
XLogP4.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(4-methoxy-3-propan-2-ylphenyl)butan-1-one
CID 82367309
(E)-4-(2,4-dimethoxyphenyl)-5-methylhex-3-en-1-amine
CID 95460067
(E)-5-(4-methoxyphenyl)-6-methylhept-4-en-1-amine
CID 95449708
2-(4-methoxy-3-propan-2-ylphenyl)-2-oxoacetaldehyde
CID 82645508
2-amino-3-(4-methoxy-3-propan-2-ylphenyl)-3-oxopropanoic acid
CID 116920480
(E)-4-(3-fluoro-4-methoxyphenyl)pent-3-en-1-amine
CID 63970099
2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]ethanamine
CID 94768384
3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine
CID 117382187
(E)-5-(4-methoxy-2,3-dimethylphenyl)-6-methylhept-4-en-1-amine
CID 95467879
(1-aminocyclopropyl)-(4-methoxy-3-propan-2-ylphenyl)methanone
CID 116924282
2-(4-methoxy-3-propan-2-ylphenyl)-N-methyl-2-oxoacetamide
CID 82116578
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-methoxy-3-propan-2-ylphenyl)-5-methylhex-3-en-1-amine?
The IUPAC name of (E)-4-(4-methoxy-3-propan-2-ylphenyl)-5-methylhex-3-en-1-amine (CID 95467750) is (E)-4-(4-methoxy-3-propan-2-ylphenyl)-5-methylhex-3-en-1-amine.
What is the SMILES notation for (E)-4-(4-methoxy-3-propan-2-ylphenyl)-5-methylhex-3-en-1-amine?
The canonical SMILES for (E)-4-(4-methoxy-3-propan-2-ylphenyl)-5-methylhex-3-en-1-amine is COc1ccc(/C(=C/CCN)C(C)C)cc1C(C)C.
What is the InChIKey of (E)-4-(4-methoxy-3-propan-2-ylphenyl)-5-methylhex-3-en-1-amine?
The InChIKey is CMNLYZZIJVBQRU-VIZOYTHASA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)15(7-6-10-18)14-8-9-17(19-5)16(11-14)13(3)4/h7-9,11-13H,6,10,18H2,1-5H3/b15-7+.
What are the key properties of (E)-4-(4-methoxy-3-propan-2-ylphenyl)-5-methylhex-3-en-1-amine?
(E)-4-(4-methoxy-3-propan-2-ylphenyl)-5-methylhex-3-en-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-methoxy-3-propan-2-ylphenyl)-5-methylhex-3-en-1-amine is sourced from PubChem (CID 95467750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).